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Alternative implementation of the unitary group approach to the atomic shell theory

✍ Scribed by Wen Zhenyi; Wang Yubin; Zhang Zhiyong

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
710 KB
Volume
37
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Subduction coefficients adapted to the group chain, which appeared in Racah's treatment of f^n^ configurations, are defined and calculated in the unitary group approach. The coefficients are then utilized to construct successively adapted term functions and evaluate other interesting coefficients. In addition the simplified expressions for the Coulomb and spin‐orbit operators are obtained in terms of generators.

πŸ“œ SIMILAR VOLUMES

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## Abstract An analytical treatment for a strong crystal field in an octahedral symmetry by using the unitary group approach is given. It shows that the convenience of the unitary group approach is comparable with that of the Racah method.

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✍ Xiangzhu Li; Josef Paldus πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 766 KB

The unitary group based open-shell state specific (SS) coupled-cluster (CC) theory is used to compute energies and ionization potentials for several electronic states of methylene, using a double-zeta plus polarization basis set model. The results are compared with the exact full configuration inter